dimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate

C11H19NO4S — CID 609379

IUPACdimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate
SMILESCOC(=O)C1CSC(C(C)(C)C)N1C(=O)OC
InChIInChI=1S/C11H19NO4S/c1-11(2,3)9-12(10(14)16-5)7(6-17-9)8(13)15-4/h7,9H,6H2,1-5H3
InChIKeyIQSBPWHCWLZUBD-UHFFFAOYSA-N
MW261.34 g/mol
LogP1.72
Rot. Bonds1

About dimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate

dimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate (PubChem CID 609379) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is dimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate
PubChem CID609379
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Namedimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate
SMILESCOC(=O)C1CSC(C(C)(C)C)N1C(=O)OC
InChIInChI=1S/C11H19NO4S/c1-11(2,3)9-12(10(14)16-5)7(6-17-9)8(13)15-4/h7,9H,6H2,1-5H3
InChIKeyIQSBPWHCWLZUBD-UHFFFAOYSA-N
XLogP1.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate (CID 609379) is dimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate is COC(=O)C1CSC(C(C)(C)C)N1C(=O)OC.
What is the InChIKey of dimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate?
The InChIKey is IQSBPWHCWLZUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-11(2,3)9-12(10(14)16-5)7(6-17-9)8(13)15-4/h7,9H,6H2,1-5H3.
What are the key properties of dimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate?
dimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate has a molecular weight of 261.34 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-tert-butyl-1,3-thiazolidine-3,4-dicarboxylate is sourced from PubChem (CID 609379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).